8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one

C15H26ClN3O — CID 116551505

IUPAC8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
SMILESCCc1nn(CC)c(CC(=O)CCCCCCN)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-3-13-15(16)14(19(4-2)18-13)11-12(20)9-7-5-6-8-10-17/h3-11,17H2,1-2H3
InChIKeyYSBWHODRLGRSLY-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.14
Rot. Bonds10

About 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one

8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one (PubChem CID 116551505) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one.

Molecular Properties

Compound Name8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
PubChem CID116551505
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
SMILESCCc1nn(CC)c(CC(=O)CCCCCCN)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-3-13-15(16)14(19(4-2)18-13)11-12(20)9-7-5-6-8-10-17/h3-11,17H2,1-2H3
InChIKeyYSBWHODRLGRSLY-UHFFFAOYSA-N
XLogP3.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
7-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-5,5-dimethylheptan-2-one
CID 116574846
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562558
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573649
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-ethylheptan-2-one
CID 115778515
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
7-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116550158
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4,6,6-trimethylheptan-2-one
CID 115778561
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethylhex-3-en-2-one
CID 103458953

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one?
The IUPAC name of 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one (CID 116551505) is 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one.
What is the SMILES notation for 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one?
The canonical SMILES for 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one is CCc1nn(CC)c(CC(=O)CCCCCCN)c1Cl.
What is the InChIKey of 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one?
The InChIKey is YSBWHODRLGRSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-3-13-15(16)14(19(4-2)18-13)11-12(20)9-7-5-6-8-10-17/h3-11,17H2,1-2H3.
What are the key properties of 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one?
8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one has a molecular weight of 299.85 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one is sourced from PubChem (CID 116551505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).